Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C11H12F3N3/c1-10(2,3)7-4-5-9(16-17-15)8(6-7)11(12,13)14/h4-6H,1-3H3
SMILES [N-]=[N+]=Nc1ccc(cc1C(F)(F)F)C(C)(C)C
InChI Key VSVGIYNSQPCMFD-UHFFFAOYSA-N
Molecular Formula C11H12F3N3
Exact Mass 243.228 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VSVGIYNSQPCMFD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/VSVGIYNSQPCMFD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-azido-4-tert-butyl-2-(trifluoromethyl)benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427444 PubChem
    J3.081.929B Nikkaji
    The data in this table is sourced from UniChem at EBI.